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[lammps-users] How to define different groups in the same molecule as different chunks
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[lammps-users] How to define different groups in the same molecule as different chunks


From: Shu Wang <swang597@...107...>
Date: Thu, 03 Aug 2017 15:26:05 +0000

Dear All,

I want to calculate COM (center of mass) of each group in the same linear polymer molecule.(e.g.. COM of the phenyl group) I think I should use Compute chunk/atom command.
But How to define different groups in the same linear polymer molecule as different chunks?

Thank you!

Shu